在印梅他辛固态形式中的堆叠相互作用
Nazanin Fereidouni1, Marwah Aljohani2, Andrea Erxleben1,3
1School of Biological and Chemical Sciences, University of Galway, Galway H91TK33, Ireland.
Crystal growth & design
|March 24, 2025
概括
合成了与p-methoxyaniline (MOA) 和4-phenoxybenzylamine (POBA) 结合的新型印美他素 (IND) 联合晶体. 少量的MOA影响了IND再结晶,促进了转移稳定的α-多态形态的形成.
科学领域:
- 晶体学 晶体学是指结晶学.
- 材料科学 材料科学 材料科学
- 制药科学 制药科学
背景情况:
- 堆叠的分子结构具有强大的分散力,往往导致异型晶体生长和针状形态.
- 印米他素 (IND) 是一种非类固醇抗炎药物,已知多态形式,包括α和gamma.
- 晶形成是一种修改活性药物成分物理化学性质的策略.
研究的目的:
- 报告一个新的共晶体 (IND·MOA) 和一个分子盐 (IND·POBA·0.5H2O) 的晶体结构.
- 为了研究辅形体对印莫他辛晶体生长和多态变化的影响.
- 为了探索少量协同构造物的对无形印梅他辛再结晶路径的影响.
主要方法:
- 单晶X射线衍射以确定IND·MOA和IND·POBA·0.5H2O的晶体结构.
- 粉末X射线衍射和显微镜分析晶体形态和多态形状.
- 固态研磨 (研磨) 实验,以研究多态变换和辅形物的作用.
主要成果:
- 确定了IND·MOA (共晶) 和IND·POBA·0.5H2O (分子盐) 的晶体结构,两者都表现出堆叠的安排.
- 这两种化合物都以针状结晶,类似于IND的α多态,IND采用其特有的形状.
- 与IND·POBA·0.5H2O相比,IND·MOA中较弱的堆叠相互作用导致了较短,较厚的针.
- 无形IND在磨时再结晶为稳定的玛多态.
- 研磨无形IND的2.5重%MOA导致转换为α-IND多态.
结论:
- 晶和分子盐的形成可以影响印米的结晶习惯.
- 存在少量的协同构造物 (MOA) 可以指导印美他素再结晶的多态结果,有利于转移稳定的α形式.
- 建议在削过程中形成的共晶体的模板效应或由共晶体促进α相形状的模板效应来解释观察到的再结晶行为.
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